General Information of the Compound
| Compound ID |
CP0494761
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-chlorophenyl)-3-fluoro-N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClFN2O
|
||||||||||||||||||
| Molecular Weight |
436.958
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(ccc1-c1ccc(Cl)cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClFN2O/c27-23-10-7-21(8-11-23)24-12-9-22(17-25(24)28)26(31)29-14-13-19-3-5-20(6-4-19)18-30-15-1-2-16-30/h3-12,17H,1-2,13-16,18H2,(H,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZGDBPYGQVLLBI-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound